CID 96822

Dl-alanyl-dl-norvaline

Structural Information

Molecular Formula

C₈H₁₆N₂O₃

SMILES

CCCC(C(=O)O)NC(=O)C(C)N

InChI

InChI=1S/C8H16N2O3/c1-3-4-6(8(12)13)10-7(11)5(2)9/h5-6H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)

InChIKey

AIPOPRCRQHBMLB-UHFFFAOYSA-N

Compound name

2-(2-aminopropanoylamino)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 6
Patents: 188.11609 Da
Monoisotopic Mass: -3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.12337	144.2
[M+Na]+	211.10531	149.1
[M+NH4]+	206.14991	148.8
[M+K]+	227.07925	147.7
[M-H]-	187.10881	141.4
[M+Na-2H]-	209.09076	143.8
[M]+	188.11554	143.3
[M]-	188.11664	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe